1-Benzyl-4-(4-nitrobenzyl)piperazine
Basic information
- CAS
148120-37-0- Standard SMILES
O=[N+]([O-])c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1- InChIKey
JSPBNJMOQJJJJH-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 1-Benzyl-4-(4-nitrobenzyl)piperazine
- IUPAC
- 1-benzyl-4-[(4-nitrophenyl)methyl]piperazine
- English name
- 1-Benzyl-4-(4-nitrobenzyl)piperazine
- Molecular formula
- C18H21N3O2
- Molecular weight
- 311.38
Names & synonyms
1-Benzyl-4-(4-nitrobenzyl)piperazine148120-37-01-benzyl-4-[(4-nitrophenyl)methyl]piperazineMFCD00810765Piperazine,1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)-4-(4-benzylpiperazinomethyl)-nitrobenzeneCambridge id 5262120Oprea1_446319SCHEMBL5626457DTXSID70354123JSPBNJMOQJJJJH-UHFFFAOYSA-NAKOS015839362
Show more names
1-Benzyl-4-(4-nitrobenzyl)piperazine95%1-BENZYL-4-(4-NITROBENZYL)PIPERAZINE 95%Piperazine, 1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)-1-[(4-nitrophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium
CS-W002699DS-0173SY031405DB-001972AB00077506-01F077767SR-01000201850SR-01000201850-1
Database identifiers
- CAS
148120-37-0- PubChem CID
- 763935
- DTXSID
DTXSID70354123
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 363
Related reactions
3 records
Compound notes
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